Compound Detail
CHEMBL250364
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Basic Information
| ChEMBL ID | CHEMBL250364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSRHFOYGPWJXII-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.15
ALogP
5
HBA
2
HBD
102.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.11 | 6.11 | 781.0 | 1 |
| NSO CHEMBL615003 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 16.0 | nM | 7.8 | Inhibition of cfms | 17870531 |
| NON-PROTEIN TARGET | IC50 | = | 100.0 | nM | 7.0 | Growth inhibition of MCSF expressing mouse M-NSF60 cells | 17870531 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 781.0 | nM | 6.11 | Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unkn... | 23219325 |
| NSO | IC50 | = | 20000.0 | nM | 4.7 | Growth inhibition of MCSF-independent mouse NSO cells | 17870531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17870531 | 10.1016/j.bmcl.2007.09.009 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 17870531 | 10.1016/j.bmcl.2007.09.009 | NON-PROTEIN TARGET | 1 |
| 17870531 | 10.1016/j.bmcl.2007.09.009 | NSO | 1 |
| 23219325 | 10.1016/j.bmcl.2012.11.021 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine